28-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)naphthalen-1-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;24-[4-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[8-(17-chloro-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)dibenzothiophen-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

C142H74Cl3N9S7 — CID 158627455

About 28-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)naphthalen-1-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;24-[4-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[8-(17-chloro-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)dibenzothiophen-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

28-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)naphthalen-1-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;24-[4-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[8-(17-chloro-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)dibenzothiophen-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (PubChem CID 158627455) has the molecular formula C142H74Cl3N9S7 and a molecular weight of 2237.04 g/mol. Its IUPAC name is 28-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)naphthalen-1-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;24-[4-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[8-(17-chloro-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)dibenzothiophen-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 28-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)naphthalen-1-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;24-[4-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[8-(17-chloro-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)dibenzothiophen-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
• PubChem CID: 158627455
• Molecular Formula: C142H74Cl3N9S7
• Molecular Weight: 2237.04 g/mol
• Exact Mass: 2233.32
• IUPAC Name: 28-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)naphthalen-1-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;24-[4-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[8-(17-chloro-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)dibenzothiophen-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
• SMILES: Clc1nc(-c2ccc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6sc7ccccc7c6c54)cc3)cc2)c2sc3ccccc3c2n1.Clc1nc(-c2ccc(-n3c4ccc5ccccc5c4c4c5ccccc5c5sc6ccccc6c5c43)c3ccccc23)c2sc3ccccc3c2n1.Clc1nc(-c2ccc3sc4ccc(-n5c6ccccc6c6c7ccccc7c7sc8ccccc8c7c65)cc4c3c2)c2sc3c4ccccc4c4ccccc4c3c2n1
• InChI: InChI=1S/C52H26ClN3S3.C46H24ClN3S2.C44H24ClN3S2/c53-52-54-46(51-47(55-52)44-31-13-3-1-11-29(31)30-12-2-5-15-33(30)49(44)59-51)27-21-23-41-37(25-27)38-26-28(22-24-42(38)57-41)56-39-19-9-7-17-35(39)43-32-14-4-6-16-34(32)50-45(48(43)56)36-18-8-10-20-40(36)58-50;47-46-48-41(45-42(49-46)33-18-8-10-20-37(33)52-45)30-22-24-34(28-14-4-3-13-27(28)30)50-35-23-21-25-11-1-2-12-26(25)38(35)39-29-15-5-6-16-31(29)44-40(43(39)50)32-17-7-9-19-36(32)51-44;45-44-46-39(43-40(47-44)33-13-5-8-16-36(33)50-43)27-19-17-25(18-20-27)26-21-23-28(24-22-26)48-34-14-6-3-11-31(34)37-29-9-1-2-10-30(29)42-38(41(37)48)32-12-4-7-15-35(32)49-42/h1-26H;1-24H;1-24H
• InChIKey: HYTQQLMQWCAWFX-UHFFFAOYSA-N
• XLogP: 44.00
• TPSA: 92.13 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2237.04
LogP ≤ 5	44.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 28-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)naphthalen-1-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;24-[4-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[8-(17-chloro-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)dibenzothiophen-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The IUPAC name of 28-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)naphthalen-1-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;24-[4-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[8-(17-chloro-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)dibenzothiophen-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (CID 158627455) is 28-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)naphthalen-1-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;24-[4-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[8-(17-chloro-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)dibenzothiophen-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 28-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)naphthalen-1-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;24-[4-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[8-(17-chloro-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)dibenzothiophen-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The canonical SMILES for 28-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)naphthalen-1-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;24-[4-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[8-(17-chloro-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)dibenzothiophen-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is Clc1nc(-c2ccc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6sc7ccccc7c6c54)cc3)cc2)c2sc3ccccc3c2n1.Clc1nc(-c2ccc(-n3c4ccc5ccccc5c4c4c5ccccc5c5sc6ccccc6c5c43)c3ccccc23)c2sc3ccccc3c2n1.Clc1nc(-c2ccc3sc4ccc(-n5c6ccccc6c6c7ccccc7c7sc8ccccc8c7c65)cc4c3c2)c2sc3c4ccccc4c4ccccc4c3c2n1.

What is the InChIKey of 28-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)naphthalen-1-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;24-[4-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[8-(17-chloro-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)dibenzothiophen-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

The InChIKey is HYTQQLMQWCAWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H26ClN3S3.C46H24ClN3S2.C44H24ClN3S2/c53-52-54-46(51-47(55-52)44-31-13-3-1-11-29(31)30-12-2-5-15-33(30)49(44)59-51)27-21-23-41-37(25-27)38-26-28(22-24-42(38)57-41)56-39-19-9-7-17-35(39)43-32-14-4-6-16-34(32)50-45(48(43)56)36-18-8-10-20-40(36)58-50;47-46-48-41(45-42(49-46)33-18-8-10-20-37(33)52-45)30-22-24-34(28-14-4-3-13-27(28)30)50-35-23-21-25-11-1-2-12-26(25)38(35)39-29-15-5-6-16-31(29)44-40(43(39)50)32-17-7-9-19-36(32)51-44;45-44-46-39(43-40(47-44)33-13-5-8-16-36(33)50-43)27-19-17-25(18-20-27)26-21-23-28(24-22-26)48-34-14-6-3-11-31(34)37-29-9-1-2-10-30(29)42-38(41(37)48)32-12-4-7-15-35(32)49-42/h1-26H;1-24H;1-24H.

What are the key properties of 28-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)naphthalen-1-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;24-[4-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[8-(17-chloro-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)dibenzothiophen-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?

28-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)naphthalen-1-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;24-[4-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[8-(17-chloro-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)dibenzothiophen-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene has a molecular weight of 2237.04 g/mol, XLogP of 44.00, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 28-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)naphthalen-1-yl]-9-thia-28-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,27.019,24]octacosa-1(17),2(10),3,5,7,11,13,15,18(27),19,21,23,25-tridecaene;24-[4-[4-(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)phenyl]phenyl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-[8-(17-chloro-21-thia-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)dibenzothiophen-2-yl]-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 158627455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).